SCHEMBL3592409

SCHEMBL3592409

N#Cc1c(-c2ccoc2)cc(-c2cccs2)nc1OCc1cccc(-c2nn[nH]n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.49
▸ ACMSD Q8TDX5 1/20 0.49
▸ SQOR Q9Y6N5 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MRGPRX4 Q96LA9 2/20 0.40
▸ ADORA2A P29274 3/20 0.39
▸ ADORA1 P30542 3/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ PIM1 P11309 1/20 0.35
▸ ADORA2B P29275 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3635397 0.92 KDM4E (0.44) CYP2C19ACMSDSQORALDH1A1HPGD
SCHEMBL14390900 0.89 MRGPRX4 (0.41) CYP2C19ACMSDMRGPRX4ALOX5APFEN1
SCHEMBL13545952 0.84 ALDH1A1 (0.46) CYP2C19SQORALDH1A1HPGDKDM4E
SCHEMBL14391139 0.83 ALDH1A1 (0.44) SQORALDH1A1HPGDKDM4EGLA
SCHEMBL3587275 0.82 KMT2A (0.46) ACMSDSQORALDH1A1HPGDKDM4E
SCHEMBL3588768 0.81 KMT2A (0.38) CYP2C19ACMSDSQORALDH1A1HPGD
SCHEMBL14390892 0.80 ALOX5AP (0.36) MRGPRX4ALOX5APFEN1
SCHEMBL13545953 0.80 ALDH1A1 (0.48) SQORALDH1A1HPGDKDM4EGLA
SCHEMBL14391001 0.80 ADORA2A (0.47) SQORALDH1A1HPGDKDM4EGLA
SCHEMBL3594042 0.79 CYP2C19 (0.43) CYP2C19ACMSDALDH1A1HPGDKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 CYP2C19 150/4885ACMSD 4770/4885SQOR 3669/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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